Ligand name: 5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one
PDB ligand accession: T40
DrugBank: n/a
PubChem: 71737385
ChEMBL: CHEMBL3764967
InChI Key: ZZCWXOKQTXSKMI-UHFFFAOYSA-N
SMILES: Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCNCC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Phenylpyridines

List of PDB structures and/or AlphaFold models with target protein O95271

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4UUH	Download	Experimental	e4uuhA1	ADP-ribosylation	LigPlot